1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol

C15H23NO2 — CID 117376905

IUPAC1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C)ccc1OCC1CCC1
InChIInChI=1S/C15H23NO2/c1-11-6-7-15(18-10-12-4-3-5-12)13(8-11)14(17)9-16-2/h6-8,12,14,16-17H,3-5,9-10H2,1-2H3
InChIKeyCNTPFRJAYISBEE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds6

About 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol

1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol (PubChem CID 117376905) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
PubChem CID117376905
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C)ccc1OCC1CCC1
InChIInChI=1S/C15H23NO2/c1-11-6-7-15(18-10-12-4-3-5-12)13(8-11)14(17)9-16-2/h6-8,12,14,16-17H,3-5,9-10H2,1-2H3
InChIKeyCNTPFRJAYISBEE-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117499840
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117344706
2-(cyclopentylmethoxy)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66324372
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117392899
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117340664
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol (CID 117376905) is 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol is CNCC(O)c1cc(C)ccc1OCC1CCC1.
What is the InChIKey of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol?
The InChIKey is CNTPFRJAYISBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-7-15(18-10-12-4-3-5-12)13(8-11)14(17)9-16-2/h6-8,12,14,16-17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol?
1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117376905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).